Ki Summary

Reaction Details

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Target

Mitogen-activated protein kinase kinase kinase kinase 1

Ligand

BDBM529846

Substrate

n/a

Meas. Tech.

TBHPK1 IC50 Assay

IC50

0.050±n/a nM

Citation

Balan, G; Bartlett, MJ; Chandrasekhar, J; Codelli, JA; Conway, JH; Cosman, JL; Kalla, RV; Kasun, ZA; Kim, M; Lee, SH; Lo, JR; Loyer-Drew, JA; Mitchell, SA; Perry, TD; Phillips, GB; Salvo, PJ; Swaminathan, S; Van Veldhuizen, JJ; Yeung, SC; Zablocki, J Substituted 6-azabenzimidazole compounds US Patent US11203591 Publication Date 12/21/2021

More Info.:

Get all data from this article, Assay Method

Target

Name:

Mitogen-activated protein kinase kinase kinase kinase 1

Synonyms:

HPK1 | M4K1_HUMAN | MAP4K1

Type:

PROTEIN

Mol. Mass.:

91316.07

Organism:

Homo sapiens (Human)

Description:

ChEMBL_586597

Residue:

833

Sequence:

MDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGATLARRLSFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKNPGKGPSIGDIEDEEPELPPAIPRRIRSTHRSSSLGIPDADCCRRHMEFRKLRGMETRPPANTARLQPPRDLRSSSPRKQLSESSDDDYDDVDIPTPAEDTPPPLPPKPKFRSPSDEGPGSMGDDGQLSPGVLVRCASGPPPNSPRPGPPPSTSSPHLTAHSEPSLWNPPSRELDKPPLLPPKKEKMKRKGCALLVKLFNGCPLRIHSTAAWTHPSTKDQHLLLGAEEGIFILNRNDQEATLEMLFPSRTTWVYSINNVLMSLSGKTPHLYSHSILGLLERKETRAGNPIAHISPHRLLARKNMVSTKIQDTKGCRACCVAEGASSGGPFLCGALETSVVLLQWYQPMNKFLLVRQVLFPLPTPLSVFALLTGPGSELPAVCIGVSPGRPGKSVLFHTVRFGALSCWLGEMSTEHRGPVQVTQVEEDMVMVLMDGSVKLVTPEGSPVRGLRTPEIPMTEAVEAVAMVGGQLQAFWKHGVQVWALGSDQLLQELRDPTLTFRLLGSPRLECSGTISPHCNLLLPGSSNSPASASRVAGITGL

Inhibitor

Name:

BDBM529846

Synonyms:

US11203591, Example 252

Type:

Small organic molecule

Emp. Form.:

C38H43ClF2N8O2

Mol. Mass.:

717.25

SMILES:

CCNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2cnc3c(c2)N([C@H]2C[C@](C)(C2)N2CCC4CC4C2)C(=O)C3(C)C)c(F)c(F)c1Cl |r,wU:28.30,wD:30.33,(4.39,-6.77,;3.06,-6,;1.73,-6.77,;.39,-6,;-.94,-6.77,;.39,-4.46,;1.73,-3.69,;1.73,-2.15,;3.06,-1.38,;3.06,.16,;1.73,.93,;1.73,2.47,;3.06,3.24,;4.39,2.47,;5.86,2.95,;6.76,1.7,;5.86,.46,;6.33,-1.01,;7.82,-1.41,;5.25,-2.1,;4.39,.93,;.39,3.24,;.39,4.78,;-.94,5.55,;-2.27,4.78,;-2.27,3.24,;-.94,2.47,;-3.74,2.77,;-4.21,1.3,;-3.52,-.07,;-4.89,-.77,;-4.12,-2.1,;-5.59,.6,;-5.36,-2.23,;-4.33,-3.38,;-4.81,-4.84,;-6.32,-5.16,;-7.82,-5.48,;-7.35,-4.02,;-6.87,-2.55,;-4.64,4.01,;-6.18,4.01,;-3.74,5.26,;-4.88,6.29,;-3.42,6.77,;.39,-1.38,;.39,.16,;-.94,-2.15,;-2.27,-1.38,;-.94,-3.69,;-2.27,-4.46,)|

Structure: